Issues

• Viewer: "Bad Geomtrace" assertion then SIGSEGV, seen once, not reproducible

  FriendsofECCE/ECCE#217 · Filter by author ohlincha opened on Oct 2, 2026
  1

• Local storage option: run the client with a data folder instead of a data server

  enhancement
  FriendsofECCE/ECCE#216 · Filter by author ohlincha opened on Oct 2, 2026
  1

• Electron density contour map in a plane (molecular plane or three atoms)

  enhancement
  FriendsofECCE/ECCE#215 · Filter by author ohlincha opened on Oct 1, 2026

• Vibrational spectrum viewer: wavenumber axis is reversed; replace wxPlotCtrl with a purpose-built IR/Raman canvas

  enhancement
  FriendsofECCE/ECCE#214 · Filter by author ohlincha opened on Oct 1, 2026
  1

• Evaluate replacing ActiveMQ with MQTT (Mosquitto) before #194's broker authentication

  FriendsofECCE/ECCE#213 · Filter by author ohlincha opened on Oct 1, 2026 · v9
  3

• Queue editor: discover queues, job-script settings, preview and dry-run test

  FriendsofECCE/ECCE#212 · Filter by author ohlincha opened on Oct 1, 2026 · v9

• Modernise the look: platform-native chrome, icons and plots; viewer after Coin3D

  FriendsofECCE/ECCE#210 · Filter by author ohlincha opened on Oct 1, 2026 · v9
  2

• Jobs submitted and monitored by the ECCE server, not the client

  enhancement
  FriendsofECCE/ECCE#208 · Filter by author ohlincha opened on Sep 30, 2026
  2

• Transport without a shell: direct local spawn and libssh exec channels (design)

  enhancement
  FriendsofECCE/ECCE#204 · Filter by author ohlincha opened on Sep 30, 2026
  18

• Login dialog: create a data-server account from it, not only with ecce-dataserver-adduser

  enhancement
  FriendsofECCE/ECCE#203 · Filter by author ohlincha opened on Sep 29, 2026
  1

• Fragment-orbital analysis as a calculation type: MO diagrams for complexes from real fragment calculations

  enhancement
  FriendsofECCE/ECCE#201 · Filter by author ohlincha opened on Sep 29, 2026

• Broker has no authentication: any local user can send job-control messages as another user (shared-broker mode makes it official)

  bug
  FriendsofECCE/ECCE#194 · Filter by author ohlincha opened on Sep 29, 2026 · A: teaching-ready (8.16.x)
  8

• Install testing from scratch: RHEL 9, Ubuntu 24.04, Debian trixie (client, server, and each deployment mode)

  enhancement
  FriendsofECCE/ECCE#193 · Filter by author ohlincha opened on Sep 29, 2026 · A: teaching-ready (8.16.x)
  10

• Remote mode: the server provides site configuration (machines, queues), so a client works out of the box

  enhancement
  FriendsofECCE/ECCE#192 · Filter by author ohlincha opened on Sep 29, 2026 · v9
  1

• Deployment modes: restore a shared-broker ("middle ground") mode, and stop per-user brokers piling up on shared app servers

  bug
  FriendsofECCE/ECCE#191 · Filter by author ohlincha opened on Sep 29, 2026 · A: teaching-ready (8.16.x)
  1

• Every window must fit small screens: audit all apps and dialogs, one shared fix

  enhancement
  FriendsofECCE/ECCE#189 · Filter by author ohlincha opened on Sep 28, 2026 · A: teaching-ready (8.16.x)

• v9 roadmap: the revamped ECCE (server/client split, new transport, native clients)

  enhancement
  FriendsofECCE/ECCE#186 · Filter by author ohlincha opened on Sep 28, 2026 · v9
  6

• Tracking: property calculations for battery research

  backlogenhancement
  FriendsofECCE/ECCE#183 · Filter by author ohlincha opened on Sep 28, 2026

• Quantum ESPRESSO: nudged elastic band (neb.x) for Li-migration barriers

  backlogenhancement
  FriendsofECCE/ECCE#182 · Filter by author ohlincha opened on Sep 28, 2026

• Battery electrodes with Quantum ESPRESSO: DFT+U, magnetic moments, intercalation voltage, formation energies, volume change

  backlogenhancement
  FriendsofECCE/ECCE#181 · Filter by author ohlincha opened on Sep 28, 2026

• MD analysis for electrolytes: RDF, coordination numbers, residence times, diffusion, conductivity, transference number

  backlogenhancement
  FriendsofECCE/ECCE#180 · Filter by author ohlincha opened on Sep 28, 2026

• Force-field charges for new ions and solvents: RESP/ESP for all codes, export to GROMACS

  backlogenhancement
  FriendsofECCE/ECCE#179 · Filter by author ohlincha opened on Sep 28, 2026

• Battery electrolytes: Li⁺/Na⁺/Mg²⁺ binding and desolvation energies, ion-pair dissociation, with counterpoise

  backlogenhancement
  FriendsofECCE/ECCE#178 · Filter by author ohlincha opened on Sep 28, 2026

• Battery electrolytes: oxidation/reduction potentials and the electrochemical stability window

  backlogenhancement
  FriendsofECCE/ECCE#177 · Filter by author ohlincha opened on Sep 28, 2026

• Thermochemistry and solvation-energy parsing gaps (Gaussian, NWChem)

  backlogenhancement
  FriendsofECCE/ECCE#176 · Filter by author ohlincha opened on Sep 28, 2026